Information card for entry 1572384

Structure parameters

• Formula: C23 H18 O
• Calculated formula: C23 H18 O
• SMILES: O1[C@@H]2c3ccccc3[C@H]3[C@](C2)(c2ccccc2)[C@@]13c1ccccc1
• Title of publication: Organocatalytic enantio- and diastereoselective assembly of cyclopropane-incorporated polycyclic molecules <i>via</i> isobenzopyrylium ions.
• Authors of publication: Liu, Shuxuan; Zhang, Chaoshen; Han, Zhengyu; Huang, Hai; Sun, Jianwei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15274 - 15279
• a: 10.33817 ± 0.00007 Å
• b: 10.45428 ± 0.00008 Å
• c: 14.51868 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1569.15 ± 0.019 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No